8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H23FN4O2 — CID 25071620

IUPAC8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3nc4ccc(-c5ccc(F)cc5)cc4[nH]3)CC2)CN1c1ccccc1
InChIInChI=1S/C26H23FN4O2/c27-20-9-6-18(7-10-20)19-8-11-22-23(16-19)29-24(28-22)30-14-12-26(13-15-30)17-31(25(32)33-26)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,29)
InChIKeyLWIPNOVKUFHZNW-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.36
Rot. Bonds3

About 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 25071620) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID25071620
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3nc4ccc(-c5ccc(F)cc5)cc4[nH]3)CC2)CN1c1ccccc1
InChIInChI=1S/C26H23FN4O2/c27-20-9-6-18(7-10-20)19-8-11-22-23(16-19)29-24(28-22)30-14-12-26(13-15-30)17-31(25(32)33-26)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,29)
InChIKeyLWIPNOVKUFHZNW-UHFFFAOYSA-N
XLogP5.36
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 25071620) is 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(c3nc4ccc(-c5ccc(F)cc5)cc4[nH]3)CC2)CN1c1ccccc1.
What is the InChIKey of 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LWIPNOVKUFHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-20-9-6-18(7-10-20)19-8-11-22-23(16-19)29-24(28-22)30-14-12-26(13-15-30)17-31(25(32)33-26)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,29).
What are the key properties of 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 442.49 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 25071620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).